N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide

C14H20N2O4S — CID 110354676

IUPACN,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCC1COCCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H20N2O4S/c1-11-10-20-8-7-16(11)14(17)12-5-4-6-13(9-12)21(18,19)15(2)3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyHJYVEDFOSPYXEY-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.80
Rot. Bonds3

About N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide

N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110354676) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID110354676
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCC1COCCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H20N2O4S/c1-11-10-20-8-7-16(11)14(17)12-5-4-6-13(9-12)21(18,19)15(2)3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyHJYVEDFOSPYXEY-UHFFFAOYSA-N
XLogP0.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216140
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
3-(6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110629008
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469
N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
CID 110353783
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309764
[3-(cyclopentylsulfamoylamino)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110614470

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide (CID 110354676) is N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide is CC1COCCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is HJYVEDFOSPYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-10-20-8-7-16(11)14(17)12-5-4-6-13(9-12)21(18,19)15(2)3/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide?
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110354676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).